2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide

C14H20BrNO2 — CID 55125784

IUPAC2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C14H20BrNO2/c1-4-11(15)14(17)16-12-7-5-6-8-13(12)18-9-10(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)
InChIKeyBMOVYFPGWTZSOF-UHFFFAOYSA-N
MW314.22 g/mol
LogP3.83
Rot. Bonds6

About 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide

2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide (PubChem CID 55125784) has the molecular formula C14H20BrNO2 and a molecular weight of 314.22 g/mol. Its IUPAC name is 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide.

Molecular Properties

Compound Name2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
PubChem CID55125784
Molecular FormulaC14H20BrNO2
Molecular Weight314.22 g/mol
Exact Mass313.07
IUPAC Name2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide
SMILESCCC(Br)C(=O)Nc1ccccc1OCC(C)C
InChIInChI=1S/C14H20BrNO2/c1-4-11(15)14(17)16-12-7-5-6-8-13(12)18-9-10(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,16,17)
InChIKeyBMOVYFPGWTZSOF-UHFFFAOYSA-N
XLogP3.83
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.22
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-amino-3-methyl-N-[2-(2-methylpropoxy)phenyl]pentanamide
CID 61174256
(2S)-2-bromo-N-(2-methoxyphenyl)butanamide
CID 40932699
(2S)-2-amino-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 93360503
1-[2-(2-methylpropoxy)phenyl]-3-pentan-3-ylurea
CID 47264632
2-amino-N-[2-(2-methylpropoxy)phenyl]hexanamide
CID 60928386
N,N'-bis[2-(2-methylpropoxy)phenyl]hexanediamide
CID 17074524
N,N'-bis[2-(2-methylpropoxy)phenyl]nonanediamide
CID 17074526
2-(4-methoxyphenoxy)-N-[2-(2-methylpropoxy)phenyl]propanamide
CID 17074273
1-(1-hydroxy-2-methylpropan-2-yl)-3-[2-(2-methylpropoxy)phenyl]urea
CID 110901135
N-[(2-ethylphenyl)methyl]-2-(2-methylpropoxy)aniline
CID 63453225
methyl 2-[[(2S)-2-bromobutanoyl]amino]benzoate
CID 92864132
2-chloro-N-[2-(2-methylpropoxy)phenyl]benzamide
CID 17074225

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide?
The IUPAC name of 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide (CID 55125784) is 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide.
What is the SMILES notation for 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide?
The canonical SMILES for 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide is CCC(Br)C(=O)Nc1ccccc1OCC(C)C.
What is the InChIKey of 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide?
The InChIKey is BMOVYFPGWTZSOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20BrNO2/c1-4-11(15)14(17)16-12-7-5-6-8-13(12)18-9-10(2)3/h5-8,10-11H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide?
2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide has a molecular weight of 314.22 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(2-methylpropoxy)phenyl]butanamide is sourced from PubChem (CID 55125784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).